N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C26H37N3O2 — CID 165429149

IUPACN-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCN(C(=O)CNCC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIInChI=1S/C26H37N3O2/c1-25(2,17-21-13-9-7-10-14-21)28(5)23(30)19-27-20-24(31)29(6)26(3,4)18-22-15-11-8-12-16-22/h7-16,27H,17-20H2,1-6H3
InChIKeyGQNNMDULJUNLBL-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.54
Rot. Bonds10

About N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 165429149) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID165429149
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCN(C(=O)CNCC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIInChI=1S/C26H37N3O2/c1-25(2,17-21-13-9-7-10-14-21)28(5)23(30)19-27-20-24(31)29(6)26(3,4)18-22-15-11-8-12-16-22/h7-16,27H,17-20H2,1-6H3
InChIKeyGQNNMDULJUNLBL-UHFFFAOYSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4621
CID 4621
CID 60510
CID 60510
CID 60511
CID 60511
CID 16829
CID 16829
CID 85169
CID 85169
CID 219253
CID 219253
CID 7037588
CID 7037588
CID 7088460
CID 7088460
CID 11100291
CID 11100291
CID 11317764
CID 11317764
CID 11351754
CID 11351754
CID 156009105
CID 156009105

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 165429149) is N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is CN(C(=O)CNCC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1.
What is the InChIKey of N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is GQNNMDULJUNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-25(2,17-21-13-9-7-10-14-21)28(5)23(30)19-27-20-24(31)29(6)26(3,4)18-22-15-11-8-12-16-22/h7-16,27H,17-20H2,1-6H3.
What are the key properties of N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 423.60 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 165429149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).